Information card for entry 7054730

Structure parameters

• Formula: C68 H64 Cl6 N4 O4 Sn
• Calculated formula: C68 H64 Cl6 N4 O4 Sn
• SMILES: [Sn]123(OC(=O)c4c5ccccc5cc5ccccc45)(OC(=O)c4c5ccccc5cc5ccccc45)n4c5=Cc6[n]3c(=Cc3n2c(C=c2[n]1c(C=c4c(c5CC)CC)c(c2CC)CC)c(c3CC)CC)c(c6CC)CC.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Aggregation-Controlled Excimer Emission in an Axial Anthracene-Sn(IV)Porphyrin-Anthracene Triad in Solid and Solution Phases
• Authors of publication: Dey, Soumyajit; Mondal, Pritam; Rath, Sankar Prasad
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 4100 - 4108
• a: 14.632 ± 0.005 Å
• b: 15.057 ± 0.005 Å
• c: 15.61 ± 0.005 Å
• α: 85.153 ± 0.005°
• β: 63.131 ± 0.005°
• γ: 86.091 ± 0.005°
• Cell volume: 3055.1 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No